CID 26903

N,n-diisopropyltryptamine

Structural Information

Molecular Formula

C₁₆H₂₄N₂

SMILES

CC(C)N(CCC1=CNC2=CC=CC=C21)C(C)C

InChI

InChI=1S/C16H24N2/c1-12(2)18(13(3)4)10-9-14-11-17-16-8-6-5-7-15(14)16/h5-8,11-13,17H,9-10H2,1-4H3

InChIKey

ZRVAAGAZUWXRIP-UHFFFAOYSA-N

Compound name

N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 274
Patents: 244.19395 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.20123	161.4
[M+Na]+	267.18317	167.4
[M-H]-	243.18667	164.4
[M+NH4]+	262.22777	180.2
[M+K]+	283.15711	164.2
[M+H-H2O]+	227.19121	154.1
[M+HCOO]-	289.19215	182.4
[M+CH3COO]-	303.20780	200.7
[M+Na-2H]-	265.16862	163.5
[M]+	244.19340	163.1
[M]-	244.19450	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe